![ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate structure](/static/products/7273/727385-43-5.webp)
ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 727385-43-5) is a chemical compound with molecular formula C25H28N4O5 and molecular weight 464.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate, ethyl 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate, ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate, ethyl 2-[4-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl]-6-oxo-4-phenyl -3,4,5-trihydropyrimidine-5-carboxylate, ETHYL 2-{4-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]PIPERAZIN-1-YL}-4-OXO-6-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C25H28N4O5 |
|---|---|
| Molecular Weight | 464.21 g/mol |
| LogP | 1.9393 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.20596 |
| Heavy Atoms | 34 |
| Complexity | 1081.9685 |
Chemical Identifiers
| CAS Number | 727385-43-5 |
|---|---|
| SMILES | CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 |
Product Overview
ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate (CAS 727385-43-5), with molecular formula C25H28N4O5 and molecular weight 464.21 g/mol. IUPAC: ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.9393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate is 727385-43-5.
What is the molecular formula of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate is C25H28N4O5.
What is the molecular weight of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate is 464.21 g/mol.
Where can I buy ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.